6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine

C15H12BrClFN3 — CID 79279326

IUPAC6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(F)ccc1-n1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H12BrClFN3/c1-9-6-11(18)2-3-13(9)21-14(4-5-17)20-12-7-10(16)8-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyUGFISCBFYRXGAU-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.41
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79279326) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79279326
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(F)ccc1-n1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H12BrClFN3/c1-9-6-11(18)2-3-13(9)21-14(4-5-17)20-12-7-10(16)8-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyUGFISCBFYRXGAU-UHFFFAOYSA-N
XLogP4.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107529559
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine (CID 79279326) is 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine is Cc1cc(F)ccc1-n1c(CCCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is UGFISCBFYRXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c1-9-6-11(18)2-3-13(9)21-14(4-5-17)20-12-7-10(16)8-19-15(12)21/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 368.64 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79279326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).